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(2R)-2-(2,3,6-TRIBROMO-4,5-DIHYDROXYBENZYL)-CYCLOHEXANONE
SpectraBase Compound ID 52GVoVDLdEa
InChI InChI=1S/C13H13Br3O3/c14-9-7(5-6-3-1-2-4-8(6)17)10(15)12(18)13(19)11(9)16/h6,18-19H,1-5H2/t6-/m1/s1
InChIKey LLMBLIAKCCQZSI-ZCFIWIBFSA-N
Mol Weight 456.96 g/mol
Molecular Formula C13H13Br3O3
Exact Mass 453.841483 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IGmeGHvWziC
Name (2R)-2-(2,3,6-TRIBROMO-4,5-DIHYDROXYBENZYL)-CYCLOHEXANONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13Br3O3
InChI InChI=1S/C13H13Br3O3/c14-9-7(5-6-3-1-2-4-8(6)17)10(15)12(18)13(19)11(9)16/h6,18-19H,1-5H2/t6-/m1/s1
InChIKey LLMBLIAKCCQZSI-ZCFIWIBFSA-N
Literature Reference Author J.S.CHOI,H.J.PARK,H.A.JUNG,H.Y.CHUNG,J.H.JUNG,W.C.CHOI
Literature Reference Citation J.NAT.PROD.,63,1705(2000)
Literature Reference DOI 10.1021/np0002278
Molecular Weight 456.956 g/mol
Solvent CDCl3
Source File Reference UWRU2373